Package org.openscience.cdk.hash
Interface EnsembleHashGenerator
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public interface EnsembleHashGenerator
A hash function which generates a single 64-bit hash code for a set of molecules (ensemble).- Author:
- John May
- Source code:
- main
- Belongs to CDK module:
- interfaces
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description long
generate(Set<IAtomContainer> ensemble)
Generate invariant 64-bit hash code for an ensemble of molecules.
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Method Detail
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generate
long generate(Set<IAtomContainer> ensemble)
Generate invariant 64-bit hash code for an ensemble of molecules.- Parameters:
ensemble
- an ensemble molecule- Returns:
- hash code for the ensemble
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